CAS RN: 74336-91-7
4′,4”’-Di-O-Methylcupressuflavone
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS74336-91-7
- Purity/Analytical Methods: >99.0%
74336-91-7 / 8-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
Basic Information
CAS
74336-91-7
Multi CAS
Yes
Molecular Formula
C32H22O10
Molecular Weight
566.500000
Exact Mass
566.121297
InChI
InChI=1S/C32H22O10/c1-39-17-7-3-15(4-8-17)25-13-23(37)27-19(33)11-21(35)29(31(27)41-25)30-22(36)12-20(34)28-24(38)14-26(42-32(28)30)16-5-9-18(40-2)10-6-16/h3-14,33-36H,1-2H3
InChIKey
XMFLYCKXVTYBRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
32
Fraction Csp3
0.06
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
4
Molar refractivity
154.6
TPSA
159.8
LogP / Solubility
WLOGP
5.74
MLOGP
5.1
XLogP3
5.7
Consensus LogP
5.51
Log S (ESOL)
-7.2
Class (ESOL)
Insoluble
Log S (Ali)
-8.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.71
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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- CAS RN: 74357-20-3
- Product Code: starshine_CAS74357-20-3
- Purity/Analytical method: >99.0%
